CID 3087827

1-naphthaleneacetamide, n-(2,3-dihydro-2-(1-pyrrolidinyl)-1h-inden-1-yl)-n-methyl-, monohydrochloride, trans-(+-)-

Structural Information

Molecular Formula
C26H28N2O
SMILES
CN([C@H]1[C@@H](CC2=CC=CC=C12)N3CCCC3)C(=O)CC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C26H28N2O/c1-27(25(29)18-21-12-8-11-19-9-2-4-13-22(19)21)26-23-14-5-3-10-20(23)17-24(26)28-15-6-7-16-28/h2-5,8-14,24,26H,6-7,15-18H2,1H3/t24-,26-/m1/s1
InChIKey
AMLSUKGCRSSFBJ-AOYPEHQESA-N
Compound name
N-methyl-2-naphthalen-1-yl-N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

384.22015 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.22743 195.4
[M+Na]+ 407.20937 199.0
[M-H]- 383.21287 205.9
[M+NH4]+ 402.25397 210.6
[M+K]+ 423.18331 193.2
[M+H-H2O]+ 367.21741 185.6
[M+HCOO]- 429.21835 213.2
[M+CH3COO]- 443.23400 204.3
[M+Na-2H]- 405.19482 192.6
[M]+ 384.21960 192.8
[M]- 384.22070 192.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe